(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone

C14H9ClO3 — CID 29076016

IUPAC(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)o1
InChIInChI=1S/C14H9ClO3/c1-8-2-4-12(17-8)14(16)13-7-9-6-10(15)3-5-11(9)18-13/h2-7H,1H3
InChIKeyGCJAPEHMNUYYHC-UHFFFAOYSA-N
MW260.68 g/mol
LogP4.22
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 29076016) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
PubChem CID29076016
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)o1
InChIInChI=1S/C14H9ClO3/c1-8-2-4-12(17-8)14(16)13-7-9-6-10(15)3-5-11(9)18-13/h2-7H,1H3
InChIKeyGCJAPEHMNUYYHC-UHFFFAOYSA-N
XLogP4.22
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 25481768
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660259

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone (CID 29076016) is (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is GCJAPEHMNUYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-8-2-4-12(17-8)14(16)13-7-9-6-10(15)3-5-11(9)18-13/h2-7H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 260.68 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 29076016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).